1-[(3,5-dimethylphenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(4-pyridyl)methyl]isonipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=NC=C2)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=NC=C2)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C20H24N2O2/c1-14-11-15(2)13-18(12-14)19(16-3-7-21-8-4-16)22-9-5-17(6-10-22)20(23)24/h3-4,7-8,11-13,17,19H,5-6,9-10H2,1-2H3,(H,23,24)